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(2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl propanoate
SpectraBase Compound ID G0KUb14wJRn
InChI InChI=1S/C16H17NO6/c1-4-12(19)23-7-11-13-10(5-6-17(11)8-18)14(20)9(2)16(22-3)15(13)21/h5-6,8,11H,4,7H2,1-3H3
InChIKey JUBNKIJTCUEYTM-UHFFFAOYSA-N
Mol Weight 319.31 g/mol
Molecular Formula C16H17NO6
Exact Mass 319.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yV8phbqQy
Name (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO6
InChI InChI=1S/C16H17NO6/c1-4-12(19)23-7-11-13-10(5-6-17(11)8-18)14(20)9(2)16(22-3)15(13)21/h5-6,8,11H,4,7H2,1-3H3
InChIKey JUBNKIJTCUEYTM-UHFFFAOYSA-N
Molecular Weight 319.313 g/mol
SMILES C(CC)(=O)OCC1N(C=CC=2C(C(=C(C(C12)=O)OC)C)=O)C=O
SPLASH splash10-0f89-0090000000-1bde218ebd196b070e76
Source of Spectrum E1-37-1386-8
Synonyms Propanoic acid (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl ester Propionic acid (2-formyl-5,8-diketo-7-methoxy-6-methyl-1H-isoquinolin-1-yl)methyl ester [2-methanoyl-7-methoxy-6-methyl-5,8-bis(oxidanylidene)-1H-isoquinolin-1-yl]methyl propanoate
Wiley ID 1517751